CID 7019412

5-bromo-2-chloro-3-nitropyridine

Structural Information

Molecular Formula
C5H2BrClN2O2
SMILES
C1=C(C=NC(=C1[N+](=O)[O-])Cl)Br
InChI
InChI=1S/C5H2BrClN2O2/c6-3-1-4(9(10)11)5(7)8-2-3/h1-2H
InChIKey
WWQQPSDIIVXFOX-UHFFFAOYSA-N
Compound name
5-bromo-2-chloro-3-nitropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1706
Patents

235.89882 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.90610 134.8
[M+Na]+ 258.88804 148.2
[M-H]- 234.89154 140.4
[M+NH4]+ 253.93264 155.4
[M+K]+ 274.86198 132.7
[M+H-H2O]+ 218.89608 139.8
[M+HCOO]- 280.89702 153.6
[M+CH3COO]- 294.91267 180.1
[M+Na-2H]- 256.87349 145.1
[M]+ 235.89827 154.5
[M]- 235.89937 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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